VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sat Nov 27 2021 - 14:03:46 CST

When you don't get a response on a mailing list this has usually one (or
multiple) of the following reasons (there are more, but they are less
likely).

- people don't understand what you have been asking, either because you
have not explained it well enough or because they got confused about your
use of the english language
- nobody knows how to answer to request (at least nobody that is subscribed
to the mailing list)
- people think that you could easily resolve you problem on your own, e.g.
by checking the documentation more thoroughly
- you are trying to do something that cannot be done or makes no sense

None of these issues get resolved with "Kindly tell me the procedure"

On Fri, Nov 26, 2021 at 11:23 PM Kibria Imtiaz Shabbir <
shabbir1627046_at_stud.kuet.ac.bd> wrote:

> Dear VMD users,
> Kindly tell me the procedure.
>
> Sincerely,
>
> Kibria Imtiaz Shabbir
>
> Undergrad student
>
> Department of Materials Science and Engineering
>
> Khulna University of Engineering and Technology(KUET)
>
> Khulna-9203, Bangladesh
> Kibria Imtiaz Shabbir | LinkedIn
> <https://urldefense.com/v3/__https://www.linkedin.com/in/kibria-imtiaz-shabbir-a33708145/__;!!DZ3fjg!rI_l6pDek5W1v0rg9QgfQOon9HJuIjcdsXROBzd4WW36kfGex1ZMg9PSWo_zDyTw3A$>
>
>
> On Thu, Nov 25, 2021 at 3:52 PM Kibria Imtiaz Shabbir <
> shabbir1627046_at_stud.kuet.ac.bd> wrote:
>
>> Dear Altruists,
>> How can I construct exact same coordination of atoms box in the CNT data
>> file which is developed by VMD?
>> lattice_box = (80.5*80.5*161) angstrom
>> Chirality(n,m) = (10,10)
>> Diameter= 1.3751 nm
>> length = 7.8566 nm
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>> *# generated by VMD 1280 atoms 1 atom types
>> 0.000000000000 80.5000000 xlo xhi (?????) 0.000000000000
>> 80.5000000 ylo yhi (?????) 0.000000000000 161.000000 zlo zhi
>> (?????) Masses 1 12.01100000 # C Atoms # atomic*
>>
>>
>> * 1 1 47.125494 40.250000
>> 41.217088 2 1 46.975248 41.679496
>> 41.217088 3 1 45.812391 44.291314
>> 41.217088 *
>>
>>
>>
>> I got the data.
>>
>> # generated by VMD
>>
>> 1280 atoms
>> 1 atom types
>>
>> 0.000000000000 15.559482000000 xlo xhi
>> 0.000000000000 15.559482000000 ylo yhi
>> 0.000000000000 79.365517000000 zlo zhi
>>
>> Masses
>>
>> 1 12.01100000 # C
>>
>> Atoms # atomic
>>
>> 1 1 6.779741000000 0.000000000000
>> 0.000000000000
>> 2 1 6.631588000000 1.409587000000
>> 0.000000000000
>> 3 1 6.447917000000 2.095055000000
>> 1.228024000000 *(wrong coordination)*
>>
>> Please help me. Your small help will be fruitful for me.
>>
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  https://urldefense.com/v3/__http://goo.gl/1wk0__;!!DZ3fjg!tpeUQEscrben-YpJYM_Cc1ls47WsK6CX5o66AaFRqzOzl9IglKOCNqnvFPCHMKnw2Q$ 
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.